ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate

C10H9F3O4 — CID 133054703

IUPACethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)oc1C(F)(F)F
InChIInChI=1S/C10H9F3O4/c1-3-16-9(15)6-4-7(5(2)14)17-8(6)10(11,12)13/h4H,3H2,1-2H3
InChIKeyCDZGGLYENSACQT-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.68
Rot. Bonds3

About ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate

ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate (PubChem CID 133054703) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
PubChem CID133054703
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Nameethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)oc1C(F)(F)F
InChIInChI=1S/C10H9F3O4/c1-3-16-9(15)6-4-7(5(2)14)17-8(6)10(11,12)13/h4H,3H2,1-2H3
InChIKeyCDZGGLYENSACQT-UHFFFAOYSA-N
XLogP2.68
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(aminomethyl)-5-(trifluoromethyl)furan-2-carboxylate
CID 133061146
ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 91654866
(4-methylphenyl)methyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate
CID 139764396
ethyl 2-methyl-5-prop-1-en-2-ylfuran-3-carboxylate
CID 121223435
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 4,5-dicyano-2-(trifluoromethyl)furan-3-carboxylate
CID 102364066
ethyl 5-bromo-2-(trifluoromethyl)thiophene-3-carboxylate
CID 119054214
5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
CID 133055417
ethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 158434340
ethyl 6-(trifluoromethyl)-1-benzofuran-2-carboxylate
CID 90154398
ethyl 3-amino-5-fluoro-2-(trifluoromethyl)benzoate
CID 171029836
ethyl 5-iodo-2-(trifluoromethyl)benzoate
CID 129319225

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate (CID 133054703) is ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate is CCOC(=O)c1cc(C(C)=O)oc1C(F)(F)F.
What is the InChIKey of ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate?
The InChIKey is CDZGGLYENSACQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-3-16-9(15)6-4-7(5(2)14)17-8(6)10(11,12)13/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate?
ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate has a molecular weight of 250.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(trifluoromethyl)furan-3-carboxylate is sourced from PubChem (CID 133054703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).